4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine

C24H21N3 — CID 130257356

IUPAC4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
SMILES[2H]c1ccc(Nc2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H21N3/c1-3-7-19(8-4-1)25-21-11-15-23(16-12-21)27-24-17-13-22(14-18-24)26-20-9-5-2-6-10-20/h1-18,25-27H/i1D
InChIKeyVDYDHKWLLUIIBF-MICDWDOJSA-N
MW352.46 g/mol
LogP6.92
Rot. Bonds6

About 4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine

4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine (PubChem CID 130257356) has the molecular formula C24H21N3 and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
PubChem CID130257356
Molecular FormulaC24H21N3
Molecular Weight352.46 g/mol
Exact Mass352.18
IUPAC Name4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
SMILES[2H]c1ccc(Nc2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H21N3/c1-3-7-19(8-4-1)25-21-11-15-23(16-12-21)27-24-17-13-22(14-18-24)26-20-9-5-2-6-10-20/h1-18,25-27H/i1D
InChIKeyVDYDHKWLLUIIBF-MICDWDOJSA-N
XLogP6.92
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 56.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine
CID 130257526
azane;N-phenylaniline
CID 67074378
hydrazine;N-phenylaniline
CID 159755629
4-(2-deuteriophenyl)-N-phenylaniline
CID 171832508
4-iodo-N-phenylaniline
CID 11471947
CID 175904297
CID 175904297
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
sodium;dimethylazanide;N-phenylaniline
CID 87793775
N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
CID 22245212
4-ethenyl-N-phenylaniline
CID 21478062
4-N-methoxy-1-N-phenylbenzene-1,4-diamine
CID 23137119

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine (CID 130257356) is 4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine is [2H]c1ccc(Nc2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine?
The InChIKey is VDYDHKWLLUIIBF-MICDWDOJSA-N. The full InChI is InChI=1S/C24H21N3/c1-3-7-19(8-4-1)25-21-11-15-23(16-12-21)27-24-17-13-22(14-18-24)26-20-9-5-2-6-10-20/h1-18,25-27H/i1D.
What are the key properties of 4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine?
4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine has a molecular weight of 352.46 g/mol, XLogP of 6.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 130257356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).